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113966-04-4 | Pentanoic acid, 2,2-dibromoethenyl ester
CAS No: 113966-04-4 Catalog No: AG000A6I MDL No:
Product Description
Catalog Number:
AG000A6I
Chemical Name:
Pentanoic acid, 2,2-dibromoethenyl ester
CAS Number:
113966-04-4
Molecular Formula:
C7H10Br2O2
Molecular Weight:
285.9611
IUPAC Name:
2,2-dibromoethenyl pentanoate
InChI:
InChI=1S/C7H10Br2O2/c1-2-3-4-7(10)11-5-6(8)9/h5H,2-4H2,1H3
InChI Key:
RBTDQYRNEJRTSH-UHFFFAOYSA-N
SMILES:
CCCCC(=O)OC=C(Br)Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.903g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.963g/mol
Monoisotopic Mass:
283.905g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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